setup.py

#!/usr/bin/env python

import io
import os
import sys
from shutil import rmtree
import setuptools
from setuptools import setup, Command

# data_dir=os.path.join(os.getcwd(), "foldamers")
# Package meta-data.
NAME = "foldamers"
DESCRIPTION = "Package containing tools to model secondary structure formation in heteropolymers."
long_description = "This software provides molecular modeling tools to evaluate secondary structure and thermodynamic properties of coarse-grained heteropolymers."
URL = "https://github.com/shirtsgroup/foldamers"
EMAIL = "michael.shirts@colorado.edu"
AUTHOR = "Shirts research group"
REQUIRES_PYTHON = ">=3.6.8"
VERSION = 1.12

# What packages are required for this module to be executed?
REQUIRED = [
    "cg_openmm",
    "pymbar",
]

# What packages are optional?
EXTRAS = {
    # 'fancy feature': ['django'],
}

here = os.path.abspath(os.path.dirname(__file__))

# Import the README and use it as the long-description.
# Note: this will only work if 'README.md' is present in your MANIFEST.in file!
# try:
#    with io.open(os.path.join(here, 'README.md'), encoding='utf-8') as f:
#        long_description = '\n' + f.read()
# except FileNotFoundError:
#    long_description = DESCRIPTION

# Load the package's __version__.py module as a dictionary.
about = {}
# if not VERSION:
#    project_slug = NAME.lower().replace("-", "_").replace(" ", "_")
#    with open(os.path.join(here, project_slug, '__version__.py')) as f:
#        exec(f.read(), about)
# else:
about["__version__"] = VERSION


class UploadCommand(Command):
    """Support setup.py upload."""

    description = "Build and publish the package."
    user_options = []

    @staticmethod
    def status(s):
        """Prints things in bold."""
        print("\033[1m{0}\033[0m".format(s))

    def initialize_options(self):
        pass

    def finalize_options(self):
        pass

    def run(self):
        try:
            self.status("Removing previous builds…")
            rmtree(os.path.join(here, "dist"))
        except OSError:
            pass

        self.status("Building Source and Wheel (universal) distribution…")
        os.system("{0} setup.py sdist bdist_wheel --universal".format(sys.executable))

        self.status("Uploading the package to PyPI via Twine…")
        os.system("twine upload dist/*")

        self.status("Pushing git tags…")
        os.system("git tag v{0}".format(about["__version__"]))
        os.system("git push --tags")

        sys.exit()


# Where the magic happens:
setup(
    name=NAME,
    version=about["__version__"],
    description=DESCRIPTION,
    long_description=long_description,
    long_description_content_type="text/markdown",
    author=AUTHOR,
    author_email=EMAIL,
    python_requires=REQUIRES_PYTHON,
    url=URL,
    packages=setuptools.find_packages(),
    install_requires=REQUIRED,
    extras_require=EXTRAS,
    include_package_data=True,
    license="MIT",
    keywords="foldamers, coarse grained models, parameter re-weighting, oligomers",
    classifiers=[
        # Trove classifiers
        # Full list: https://pypi.python.org/pypi?%3Aaction=list_classifiers
        "License :: OSI Approved :: MIT License",
        "Programming Language :: Python",
        "Programming Language :: Python :: 3",
        "Programming Language :: Python :: 3.6",
        "Programming Language :: Python :: Implementation :: CPython",
        "Programming Language :: Python :: Implementation :: PyPy",
    ],
    # $ setup.py publish support.
    cmdclass={"upload": UploadCommand,},
)